2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(2Z)-2-(2-methyliminoethylidene)hydrazinyl]-2-pyridinyl]-3-(1H-pyrazol-5-yl)propan-2-ol

C20H18F4N6O — CID 89349669

IUPAC2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(2Z)-2-(2-methyliminoethylidene)hydrazinyl]-2-pyridinyl]-3-(1H-pyrazol-5-yl)propan-2-ol
SMILESC/N=C/C=N\Nc1ccc(C(F)(F)C(O)(Cc2ccn[nH]2)c2ccc(F)cc2F)nc1
InChIInChI=1S/C20H18F4N6O/c1-25-8-9-28-30-15-3-5-18(26-12-15)20(23,24)19(31,11-14-6-7-27-29-14)16-4-2-13(21)10-17(16)22/h2-10,12,30-31H,11H2,1H3,(H,27,29)/b25-8+,28-9-
InChIKeyVQVCFLSOFXTZKG-ULOXADDKSA-N
MW434.40 g/mol
LogP3.40
Rot. Bonds8

About 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(2Z)-2-(2-methyliminoethylidene)hydrazinyl]-2-pyridinyl]-3-(1H-pyrazol-5-yl)propan-2-ol

2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(2Z)-2-(2-methyliminoethylidene)hydrazinyl]-2-pyridinyl]-3-(1H-pyrazol-5-yl)propan-2-ol (PubChem CID 89349669) has the molecular formula C20H18F4N6O and a molecular weight of 434.40 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(2Z)-2-(2-methyliminoethylidene)hydrazinyl]-2-pyridinyl]-3-(1H-pyrazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(2Z)-2-(2-methyliminoethylidene)hydrazinyl]-2-pyridinyl]-3-(1H-pyrazol-5-yl)propan-2-ol
PubChem CID89349669
Molecular FormulaC20H18F4N6O
Molecular Weight434.40 g/mol
Exact Mass434.15
IUPAC Name2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(2Z)-2-(2-methyliminoethylidene)hydrazinyl]-2-pyridinyl]-3-(1H-pyrazol-5-yl)propan-2-ol
SMILESC/N=C/C=N\Nc1ccc(C(F)(F)C(O)(Cc2ccn[nH]2)c2ccc(F)cc2F)nc1
InChIInChI=1S/C20H18F4N6O/c1-25-8-9-28-30-15-3-5-18(26-12-15)20(23,24)19(31,11-14-6-7-27-29-14)16-4-2-13(21)10-17(16)22/h2-10,12,30-31H,11H2,1H3,(H,27,29)/b25-8+,28-9-
InChIKeyVQVCFLSOFXTZKG-ULOXADDKSA-N
XLogP3.40
TPSA98.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.40
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(2Z)-2-(2-methyliminoethylidene)hydrazinyl]-2-pyridinyl]-3-(1H-pyrazol-5-yl)propan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(2Z)-2-(2-methyliminoethylidene)hydrazinyl]-2-pyridinyl]-3-(1H-pyrazol-5-yl)propan-2-ol (CID 89349669) is 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(2Z)-2-(2-methyliminoethylidene)hydrazinyl]-2-pyridinyl]-3-(1H-pyrazol-5-yl)propan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(2Z)-2-(2-methyliminoethylidene)hydrazinyl]-2-pyridinyl]-3-(1H-pyrazol-5-yl)propan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(2Z)-2-(2-methyliminoethylidene)hydrazinyl]-2-pyridinyl]-3-(1H-pyrazol-5-yl)propan-2-ol is C/N=C/C=N\Nc1ccc(C(F)(F)C(O)(Cc2ccn[nH]2)c2ccc(F)cc2F)nc1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(2Z)-2-(2-methyliminoethylidene)hydrazinyl]-2-pyridinyl]-3-(1H-pyrazol-5-yl)propan-2-ol?
The InChIKey is VQVCFLSOFXTZKG-ULOXADDKSA-N. The full InChI is InChI=1S/C20H18F4N6O/c1-25-8-9-28-30-15-3-5-18(26-12-15)20(23,24)19(31,11-14-6-7-27-29-14)16-4-2-13(21)10-17(16)22/h2-10,12,30-31H,11H2,1H3,(H,27,29)/b25-8+,28-9-.
What are the key properties of 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(2Z)-2-(2-methyliminoethylidene)hydrazinyl]-2-pyridinyl]-3-(1H-pyrazol-5-yl)propan-2-ol?
2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(2Z)-2-(2-methyliminoethylidene)hydrazinyl]-2-pyridinyl]-3-(1H-pyrazol-5-yl)propan-2-ol has a molecular weight of 434.40 g/mol, XLogP of 3.40, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(2Z)-2-(2-methyliminoethylidene)hydrazinyl]-2-pyridinyl]-3-(1H-pyrazol-5-yl)propan-2-ol is sourced from PubChem (CID 89349669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).